(3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine

C14H26F3N3O — CID 124859703

IUPAC(3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine
SMILESCOCCN1CCC[C@H](N[C@H]2CCN(CC(F)(F)F)C2)C1
InChIInChI=1S/C14H26F3N3O/c1-21-8-7-19-5-2-3-12(9-19)18-13-4-6-20(10-13)11-14(15,16)17/h12-13,18H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyIMLSAMCKOOCULS-STQMWFEESA-N
MW309.38 g/mol
LogP1.32
Rot. Bonds6

About (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine

(3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine (PubChem CID 124859703) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine
PubChem CID124859703
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name(3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine
SMILESCOCCN1CCC[C@H](N[C@H]2CCN(CC(F)(F)F)C2)C1
InChIInChI=1S/C14H26F3N3O/c1-21-8-7-19-5-2-3-12(9-19)18-13-4-6-20(10-13)11-14(15,16)17/h12-13,18H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyIMLSAMCKOOCULS-STQMWFEESA-N
XLogP1.32
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616375
N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616373
N-cyclopropyl-1-(2-methoxy-2-methylpropyl)piperidin-3-amine
CID 104766166
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
CID 122156751
(3S)-N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 124856064
N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine
CID 114128506
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779
1-(2-methoxyethyl)-N-(3-methylcyclobutyl)piperidin-4-amine
CID 115892313
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110957530
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine (CID 124859703) is (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine is COCCN1CCC[C@H](N[C@H]2CCN(CC(F)(F)F)C2)C1.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine?
The InChIKey is IMLSAMCKOOCULS-STQMWFEESA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-21-8-7-19-5-2-3-12(9-19)18-13-4-6-20(10-13)11-14(15,16)17/h12-13,18H,2-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine?
(3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine has a molecular weight of 309.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine is sourced from PubChem (CID 124859703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).